Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025680
PROPERTIES
| NPAID | NPA025680 |
|---|---|
| CLUSTER ID | 7768 |
| NODE ID | 5295 |
| NAME | Bipolarolide E |
| FORMULA | C27H41NO7 |
| MOLECULAR WEIGHT (Da) | 491.6250 |
| ACCURATE MASS (Da) | 491.2883 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Bipolaris |
| ORIGIN SPECIES | sp. TJ403-B1 |
| InChIKey | NXLXVGIDBVMWFG-HNXIQDBZSA-N |
| InChI | InChI=1S/C27H41NO7/c1-16(14-30)11-18-12-17(2)26(35-18)8-7-24(3)13-21-25(4,33)15-34-27(21)19(5-6-20(24)26)22(31)28(9-10-29)23(27)32/h11,17-21,29-30,33H,5-10,12-15H2,1-4H3/t17-,18-,19-,20+,21+,24+,25+,26-,27-/m0/s1 |
| SMILES | CC(=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@@H]4[C@](C)(O)CO[C@]45C(=O)N(CCO)C(=O)[C@@H]5CC[C@@H]23)O1)CO |
ORIGINAL ISOLATION REFERENCE
| CITATION | Liu, Mengting; Sun, Weiguang; Shen, Ling; He, Yan; Liu, Junjun; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui Bipolarolides A–G: Ophiobolin-Derived Sesterterpenes with Three New Carbon Skeletons from Bipolaris sp. TJ403-B1 Angewandte Chemie International Edition 2019 58 (35) 12091-12095. | ||
|---|---|---|---|
| DOI | 10.1002/anie.201905966 | PMID | 31254370 |
